CID 21071569

5,6,7-trifluoro-1h-indole

Structural Information

Molecular Formula
C8H4F3N
SMILES
C1=CNC2=C(C(=C(C=C21)F)F)F
InChI
InChI=1S/C8H4F3N/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3,12H
InChIKey
QSMSVCBDSJEBFM-UHFFFAOYSA-N
Compound name
5,6,7-trifluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

171.02959 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.03687 125.6
[M+Na]+ 194.01881 138.5
[M-H]- 170.02231 125.0
[M+NH4]+ 189.06341 147.6
[M+K]+ 209.99275 133.6
[M+H-H2O]+ 154.02685 117.8
[M+HCOO]- 216.02779 146.7
[M+CH3COO]- 230.04344 139.9
[M+Na-2H]- 192.00426 131.7
[M]+ 171.02904 122.7
[M]- 171.03014 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe